| SpectraBase Spectrum ID |
BLHhfH1r2uS |
| Name |
Coumatetralyl-M isomer-2 3TMS |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
540.218353988 u |
| Formula |
C28H40O5Si3 |
| InChI |
InChI=1S/C28H40O5Si3/c1-34(2,3)31-20-14-15-25-24(17-20)27(33-36(7,8)9)26(28(29)30-25)23-18-21(32-35(4,5)6)16-19-12-10-11-13-22(19)23/h10-15,17,21,23H,16,18H2,1-9H3 |
| InChIKey |
ADNWYWPWYAOLDJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
540.878 g/mol |
| SMILES |
C1(=C(c2cc(O[Si](C)(C)C)ccc2OC1=O)O[Si](C)(C)C)C1c2c(cccc2)CC(C1)O[Si](C)(C)C |
| SPLASH |
splash10-006t-9315200000-aef2a84a4112f335af15 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UTMS |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Coumatetralyl-M (di-HO-) isomer-2 3TMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5031 |
